Asenapine maleate - ≥98%(HPLC) , CAS No.85650-56-2

CAS: 85650-56-2 Cat. No.: A124739 Peso molecular: 401.84 Número EC: 288-064-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

Sycrest | (3aRS,12bRS)-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo(2,3:6,7)oxepino(4,5-c)pyrrole monomaleate | Q27139467 | (3aS,12bS)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole maleate | AKOS000278625 | (3aRS,1

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Asenapine maleate is a 5-HT (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) and D2 antagonist with Ki values of 0.03-4.0 nM, 1.3nM, respectively, and an antipsychotic.
Asenapine maleate is a serotonin 5-HT and dopamine D2 receptor antagonist. Asenapine maleate can be used to treat schizophrenia and bipolar mania.

Specifications

Sinónimos

Sycrest | (3aRS, 12bRS)-5-Chloro-2-methyl-2, 3, 3a, 12b-tetrahydro-1H-dibenzo(2, 3:6, 7)oxepino(4, 5-c)pyrrole monomaleate | Q27139467 | (3aS, 12bS)-5-Chloro-2, 3, 3a, 12b-tetrahydro-2-methyl-1H-dibenz[2, 3:6, 7]oxepino[4, 5-c]pyrrole maleate | AKOS000278625 | (3aRS, 1

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Asenapine maleate is a 5-HT receptor antagonist (5-HT1A, 1B, 5-HT2A, 2B, 2C, 5-HT5A, 5-HT6 and 5-HT7), a D2 antagonist, and an antipsychotic.Novel, multiple receptor antagonist. Displays activity at 5-HT, dopamine, adrenoceptors and histamine receptors. (p

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504764341
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764341
• Sonrisas canónicas: CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
• InChIKey: GMDCDXMAFMEDAG-CHHFXETESA-N
• INCHI: 1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15-;/m1./s1
• Isómeros SMILES: CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
• WGK Alemania: 3
• Peso molecular: 401.84
• Reaxy-Rn: 23821869
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23821869&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxepines
      • Subclass Dibenzoxepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxepines
• Subclass: Dibenzoxepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzoxepines
• Alternative Parents: Diarylethers Aralkylamines Unsaturated fatty acids Aryl chlorides N-alkylpyrrolidines Benzenoids Dicarboxylic acids and derivatives Trialkylamines Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Dibenzoxepine - Diaryl ether - Aralkylamine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Unsaturated fatty acid - N-alkylpyrrolidine - Benzenoid - Fatty acid - Fatty acyl - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid - Carboxylic acid derivative - Ether - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
• External Descriptors: maleate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: DMSO : 25 mg/mL (62.21 mM; Need ultrasonic) H2O : 6.25 mg/mL (15.55 mM; Need ultrasonic and warming)
• Sensibilidad: Hygroscopic,Heat Sensitive
• Punto de fusión (°C): 141 °C
• Peso molecular: 401.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 401.103 Da
• Monoisotopic Mass: 401.103 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 482.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3